Ab initio simulation of optical limiting: the case of metal-free phthalocyanine.

Phys Rev Lett

Centro S3, CNR-Istituto Nanoscienze, Via Campi 213 A, I-41125 Modena, Italy.

Published: May 2014

We present a fully ab initio, nonperturbative description of the optical limiting properties of a metal-free phthalocyanine by simulating the effects of a broadband electric field of increasing intensity. The results confirm reverse saturable absorption as the leading mechanism for optical limiting phenomena in this system and reveal that a number of dipole-forbidden excitations are populated by excited-state absorption at more intense external fields. The excellent agreement with the experimental data supports our approach as a powerful tool to predict optical limiting in view of applications.

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http://dx.doi.org/10.1103/PhysRevLett.112.198303DOI Listing

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